| Canonical Smiles | C1COC(CN1CCCN)C2=CC=CC=C2 |
|---|---|
| IUPAC Name | 3-(2-phenylmorpholin-4-yl)propan-1-amine |
| InChIKey | XBVJKHBMRMYZDU-UHFFFAOYSA-N |
| INCHI | 1S/C13H20N2O/c14-7-4-8-15-9-10-16-13(11-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2 |
| Isomeric SMILES | C1COC(CN1CCCN)C2=CC=CC=C2 |
| PubChem CID | 44116831 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmorpholines |
| Alternative Parents | Aralkylamines Benzene and substituted derivatives Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylmorpholine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 220.310 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 220.158 Da |
| Monoisotopic Mass | 220.158 Da |
| Topological Polar Surface Area | 38.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![[3-(2-Phenylmorpholin-4-yl)propyl]amine - ≥95% , CAS No.1172928-72-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)